Heptylundecanol

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  • Identifiers

    CAS number
    5333-44-8

    Molecular formula
    C18H38O

    SMILES
    CCCCCCCCCC(CCCCCCC)CO

    Safety labels

  • Odor profile

    Fragrance
    Waxy 67.32%
    Oily 53.04%
    Fatty 52.98%
    Fruity 35.37%
    Floral 31.93%
    Fresh 29.43%
    Citrus 29.13%
    Clean 27.31%
    Balsamic 24.69%
    Woody 23.95%

     

    Flavor
    Waxy 50.33%
    Mild 34.37%
    Fatty 28.25%
    Alkane 28.09%
    Bland 26.91%
    Flower 26.74%
    Fat 26.16%
    Wax 25.1%
    Delicate 24.44%
    Slightly waxy 24.1%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    8.1

    pKa est.
    7.25 (neutral)

    Molecular weight
    270.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    339°C

    Flash point

    • 153.68 ˚C est.

  • Synonyms

    • 2-Heptylundecanol
    • 2-Heptyl-1-undecanol
    • 1-Undecanol, 2-heptyl-
    • 5333-44-8
    • Heptylundecanol
    • 2-heptylundecyl alcohol
    • 1-Undecanol, 2-heptyl
    • FINE OXOCOL
    • S1664U32AI
    • NSC 2407
    • NSC-2407
    • DIADOL 18GT
    • EINECS 226-243-4
    • AI3-22105
    • DTXSID20884147
    • RefChem:783753
    • HEPTYLUNDECANOL [INCI]
    • DTXCID601023613
    • (+-)-2-HEPTYLUNDECYL ALCOHOL
    • 2-HEPTYLUNDECYL ALCOHOL, (+-)-
    • 226-243-4
    • 2-heptylundecan-1-ol
    • UNII-S1664U32AI
    • NSC2407
    • SCHEMBL221040
    • SCHEMBL7205263
    • SCHEMBL9098296
    • (+/-)-2-HEPTYLUNDECYL ALCOHOL
    • 2-HEPTYLUNDECYL ALCOHOL, (+/-)-
    • HY-157270
    • CS-0909188
    • NS00013738
    • Q27288429
    • 5333-44-8

  • Applications

    Heptylundecanol (CAS 5333-44-8) is a long-chain aliphatic alcohol used primarily as a solvent and carrier for fragrance oils in perfumery, and as an emollient/solvent in cosmetics and personal care products. It is commonly considered a fragrance fixative due to its low volatility, and can act as an intermediate or co-solvent in polymer and coating formulations. In industrial manufacturing, it is used as a processing aid or plasticizer for polymers and as a component in paints, inks, and cleaning formulations. It may also be employed as a solvent or fragrance carrier in household products. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1736.51
    methanol 682.53
    isopropanol 2758.75
    water 0.01
    ethyl acetate 4302.3
    n-propanol 2175.85
    acetone 4304.0
    n-butanol 2631.53
    acetonitrile 1039.66
    DMF 2322.19
    toluene 1146.01
    isobutanol 2086.43
    1,4-dioxane 3651.71
    methyl acetate 2028.69
    THF 9104.06
    2-butanone 3799.13
    n-pentanol 1337.26
    sec-butanol 2405.0
    n-hexane 1387.24
    ethylene glycol 29.06
    NMP 2387.71
    cyclohexane 3965.73
    DMSO 3015.15
    n-butyl acetate 5913.22
    n-octanol 966.76
    chloroform 4620.19
    n-propyl acetate 4186.37
    acetic acid 683.9
    dichloromethane 4598.84
    cyclohexanone 7448.97
    propylene glycol 140.98
    isopropyl acetate 3991.22
    DMAc 1993.0
    2-ethoxyethanol 1481.25
    isopentanol 2803.06
    n-heptane 1732.62
    ethyl formate 1439.06
    1,2-dichloroethane 4351.44
    n-hexanol 1809.96
    2-methoxyethanol 2090.32
    isobutyl acetate 2547.61
    tetrachloromethane 1612.22
    n-pentyl acetate 3863.91
    transcutol 6163.82
    n-heptanol 1145.41
    ethylbenzene 746.49
    MIBK 3270.63
    2-propoxyethanol 2228.97
    tert-butanol 3948.14
    MTBE 5736.4
    2-butoxyethanol 1936.56
    propionic acid 973.4
    o-xylene 832.82
    formic acid 50.21
    diethyl ether 6055.75
    m-xylene 866.39
    p-xylene 1045.36
    chlorobenzene 1590.83
    dimethyl carbonate 448.45
    n-octane 456.55
    formamide 143.74
    cyclopentanone 6119.92
    2-pentanone 5040.44
    anisole 1294.96
    cyclopentyl methyl ether 5441.24
    gamma-butyrolactone 4430.46
    1-methoxy-2-propanol 2448.55
    pyridine 2856.35
    3-pentanone 3037.15
    furfural 2253.18
    n-dodecane 143.59
    diethylene glycol 528.29
    diisopropyl ether 2429.09
    tert-amyl alcohol 2872.03
    acetylacetone 3325.07
    n-hexadecane 179.11
    acetophenone 1314.2
    methyl propionate 2288.57
    isopentyl acetate 5239.44
    trichloroethylene 5107.57
    n-nonanol 922.83
    cyclohexanol 3368.69
    benzyl alcohol 694.21
    2-ethylhexanol 1990.8
    isooctanol 1287.82
    dipropyl ether 6488.45
    1,2-dichlorobenzene 1620.21
    ethyl lactate 815.56
    propylene carbonate 2562.92
    n-methylformamide 782.99
    2-pentanol 2407.05
    n-pentane 1065.38
    1-propoxy-2-propanol 3228.78
    1-methoxy-2-propyl acetate 3192.81
    2-(2-methoxypropoxy) propanol 1075.18
    mesitylene 740.88
    ε-caprolactone 4962.08
    p-cymene 871.72
    epichlorohydrin 4773.97
    1,1,1-trichloroethane 4921.11
    2-aminoethanol 207.79
    morpholine-4-carbaldehyde 2392.47
    sulfolane 4926.76
    2,2,4-trimethylpentane 467.98
    2-methyltetrahydrofuran 6938.19
    n-hexyl acetate 3062.93
    isooctane 422.04
    2-(2-butoxyethoxy)ethanol 1783.28
    sec-butyl acetate 3198.64
    tert-butyl acetate 4636.29
    decalin 666.99
    glycerin 172.53
    diglyme 4370.93
    acrylic acid 412.59
    isopropyl myristate 1153.45
    n-butyric acid 3384.03
    acetyl acetate 1763.15
    di(2-ethylhexyl) phthalate 514.45
    ethyl propionate 3219.97
    nitromethane 1643.2
    1,2-diethoxyethane 5117.64
    benzonitrile 1205.07
    trioctyl phosphate 546.1
    1-bromopropane 4199.17
    gamma-valerolactone 5788.42
    n-decanol 599.57
    triethyl phosphate 1264.97
    4-methyl-2-pentanol 1500.07
    propionitrile 1618.51
    vinylene carbonate 1569.39
    1,1,2-trichlorotrifluoroethane 2252.76
    DMS 1127.89
    cumene 577.96
    2-octanol 1032.84
    2-hexanone 3375.35
    octyl acetate 1241.86
    limonene 1954.54
    1,2-dimethoxyethane 4593.15
    ethyl orthosilicate 1427.33
    tributyl phosphate 756.46
    diacetone alcohol 3049.66
    N,N-dimethylaniline 899.43
    acrylonitrile 1069.34
    aniline 1128.75
    1,3-propanediol 777.27
    bromobenzene 1868.52
    dibromomethane 3745.79
    1,1,2,2-tetrachloroethane 5240.81
    2-methyl-cyclohexyl acetate 2219.14
    tetrabutyl urea 987.42
    diisobutyl methanol 1608.84
    2-phenylethanol 890.44
    styrene 893.43
    dioctyl adipate 1316.47
    dimethyl sulfate 820.47
    ethyl butyrate 4927.75
    methyl lactate 586.45
    butyl lactate 1762.53
    diethyl carbonate 2086.26
    propanediol butyl ether 1045.78
    triethyl orthoformate 3239.9
    p-tert-butyltoluene 873.34
    methyl 4-tert-butylbenzoate 1408.05
    morpholine 5552.87
    tert-butylamine 3094.64
    n-dodecanol 432.69
    dimethoxymethane 2326.2
    ethylene carbonate 1933.16
    cyrene 778.1
    2-ethoxyethyl acetate 2970.08
    2-ethylhexyl acetate 4177.44
    1,2,4-trichlorobenzene 1677.23
    4-methylpyridine 2843.01
    dibutyl ether 4132.64
    2,6-dimethyl-4-heptanol 1608.84
    DEF 4003.18
    dimethyl isosorbide 2120.92
    tetrachloroethylene 3284.21
    eugenol 910.55
    triacetin 1862.56
    span 80 1151.05
    1,4-butanediol 207.23
    1,1-dichloroethane 4489.03
    2-methyl-1-pentanol 1389.22
    methyl formate 487.2
    2-methyl-1-butanol 2211.21
    n-decane 399.87
    butyronitrile 2810.24
    3,7-dimethyl-1-octanol 1371.8
    1-chlorooctane 1355.23
    1-chlorotetradecane 372.96
    n-nonane 463.34
    undecane 220.84
    tert-butylcyclohexane 573.45
    cyclooctane 880.54
    cyclopentanol 2754.0
    tetrahydropyran 9386.06
    tert-amyl methyl ether 3280.46
    2,5,8-trioxanonane 1972.94
    1-hexene 2572.79
    2-isopropoxyethanol 1433.55
    2,2,2-trifluoroethanol 215.91
    methyl butyrate 4307.02

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction